Structure of PDB 6kmw Chain aA Binding Site BS44

Receptor Information
>6kmw Chain aA (length=721) Species: 1641165 (Halomicronema hongdechloris C2206) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TTTWIWDLHADAHDFDSHTSDLEDISRKIFSAHFGHLAVIFIWLSGMYFH
GAKFSNYEAWLSNPTGIKPSAQVVWPIFGQEILNGDVGGGFHGIQITSGL
FQMWRANGITNSFELYCTAIGALVMAGLMLFAGWFHYHKKAPKLEWFQNV
ESMMNHHLAGLLGLGCLGYAGQQIHVSLPINACLDAIDAGKPLTVGGKVI
DSVAAIPLPHEWILNPSLMTDIYPSFAEGLKPFFTLNWSVYADFLTFNGG
LNPQTGGLWLTDTAHHHLALAVLFIVAGHFYRTNWGIGHSFKEVLEAHKG
PVTGEGHKGMYEIFTTSWHCQLSWNLAWIGSLSILVAHHMYSMPPYPYIA
TDYPTQLSLFTHHMWIGGFLIVGAGAHAAIFMVRDYDPATHINNLLDRVI
RHRDAIISHLNWVCIFLGFHSFGLYVHNDTMRAFGRPQDMFSDTGIQLQP
VFAQWVQNLHAAAAGGTAPNAAAGVSPAFGGDILAVVGKVAMMPITLGTA
DFLVHHIHAFTIHVTVLILLKGVLFARNSRLIPDKGELGFRFPCDGPGRG
GTCQVSGWDHVFLGLFWMYNSLSIVIFHFSWKMQSDVWGSVSPDGSVSHI
TAGNFAQSAITINGWLRDFLWAQASQVIGSYGSALSAYGLLFLGAHFVWA
FSLMFLFSGRGYWQELIESIVWAHNKLKVAPAIQPRALSITQGRAVGVAH
FLLGGIATTWAFFLARIIAVG
Ligand information
Ligand IDPQN
InChIInChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1
InChIKeyMBWXNTAXLNYFJB-NKFFZRIASA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC1=C(C(=O)c2ccccc2C1=O)CC=C(C)CCCC(C)CCCC(C)CCCC(C)C
ACDLabs 10.04O=C2c1c(cccc1)C(=O)C(=C2C)C\C=C(/C)CCCC(C)CCCC(C)CCCC(C)C
OpenEye OEToolkits 1.5.0CC1=C(C(=O)c2ccccc2C1=O)C\C=C(/C)\CCC[C@H](C)CCC[C@H](C)CCCC(C)C
CACTVS 3.341CC(C)CCC[CH](C)CCC[CH](C)CCCC(C)=CCC1=C(C)C(=O)c2ccccc2C1=O
CACTVS 3.341CC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(/C)=C/CC1=C(C)C(=O)c2ccccc2C1=O
FormulaC31 H46 O2
NamePHYLLOQUINONE;
VITAMIN K1;
2-METHYL-3-PHYTYL-1,4-NAPHTHOQUINONE
ChEMBLCHEMBL1550
DrugBankDB01022
ZINCZINC000003831332
PDB chain6kmw Chain aA Residue 844 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6kmw Structural basis for the adaptation and function of chlorophyll f in photosystem I.
Resolution2.35 Å
Binding residue
(original residue number in PDB)		M697 F698 S701 R703 W706 A730 L731
Binding residue
(residue number reindexed from 1)		M654 F655 S658 R660 W663 A687 L688
Annotation score1
Enzymatic activity
Enzyme Commision number 1.97.1.12: photosystem I.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0009055 electron transfer activity
GO:0016168 chlorophyll binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0015979 photosynthesis
Cellular Component
GO:0009522 photosystem I
GO:0009579 thylakoid
GO:0016020 membrane
GO:0031676 plasma membrane-derived thylakoid membrane
GO:0042651 thylakoid membrane

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6kmw, PDBe:6kmw, PDBj:6kmw
PDBsum6kmw
PubMed31932639
UniProtA0A1Z3HRW4

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